[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: [1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]methanone CAS Name: [1-(4-bromophenyl)-5-methyl-4-pyrazolyl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-[1-(4-bromophenyl)-5-methylpyrazol-4-yl]methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]methanone Formula: C23H25BrN4O MolecularWeight: 453.3748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)N3CCCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)N3CCCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H25BrN4O/c1-18-22(16-25-28(18)21-10-8-20(24)9-11-21)23(29)27-13-5-12-26(14-15-27)17-19-6-3-2-4-7-19/h2-4,6-11,16H,5,12-15,17H2,1H3